radtools.DOSQE.wfcs#

method

DOSQE.wfcs(atom: str, atom_number: int = None)[source]#

Return list of wave function symbols for particular atom.

Parameters:

atomstr: Label of an atom.
atom_numberint, optional: Number of an atom. If None then return wfc symbols of first atom.

Returns:

wfc_symbolslist

List of wave function symbols

wfc_symbols = [wfc_symbol, ...]